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Compile Data Set for Download or QSAR

Found 317 hits for UniProtKB: Q9BQ51   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479542
PNG
(US10899735, No. 1)
Show SMILES COc1nc(ccc1C1=NCCN1)-c1cccc(c1C)-c1cccc(c1C)-c1ccc(CNC[C@@H](O)CC(O)=O)c(OC(F)F)c1
Show InChI InChI=1S/C35H36F2N4O5/c1-20-25(22-10-11-23(31(16-22)46-35(36)37)18-38-19-24(42)17-32(43)44)6-4-7-26(20)27-8-5-9-28(21(27)2)30-13-12-29(34(41-30)45-3)33-39-14-15-40-33/h4-13,16,24,35,38,42H,14-15,17-19H2,1-3H3,(H,39,40)(H,43,44)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479966
PNG
(US10899735, No. 425)
Show SMILES COc1nc(ccc1CNC[C@@H](O)CC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNCC2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C35H37Cl2N5O6/c1-47-34-20(16-38-18-22-11-14-30(44)40-22)9-12-28(41-34)26-7-3-5-24(32(26)36)25-6-4-8-27(33(25)37)29-13-10-21(35(42-29)48-2)17-39-19-23(43)15-31(45)46/h3-10,12-13,22-23,38-39,43H,11,14-19H2,1-2H3,(H,40,44)(H,45,46)/t22?,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479578
PNG
(US10899735, No. 37)
Show SMILES CCOc1nc(ccc1C1=NCCN1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OCC)n1
Show InChI InChI=1S/C32H30Cl2N6O2/c1-3-41-31-23(29-35-15-16-36-29)11-13-25(39-31)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)26-14-12-24(30-37-17-18-38-30)32(40-26)42-4-2/h5-14H,3-4,15-18H2,1-2H3,(H,35,36)(H,37,38)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479553
PNG
(US10899735, No. 12)
Show SMILES Clc1c(cccc1-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OCCCC#N)n1)-c1ccc(C2=NCCN2)c(OCCCC#N)n1
Show InChI InChI=1S/C36H32Cl2N8O2/c37-31-23(7-5-9-25(31)29-13-11-27(33-41-17-18-42-33)35(45-29)47-21-3-1-15-39)24-8-6-10-26(32(24)38)30-14-12-28(34-43-19-20-44-34)36(46-30)48-22-4-2-16-40/h5-14H,1-4,17-22H2,(H,41,42)(H,43,44)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479963
PNG
(US10899735, No. 422)
Show SMILES COc1nc(ccc1CNC[C@@H]1CNC(=O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CNC(=O)C2)c(OC)n1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-47-35-23(19-39-15-21-13-31(45)41-17-21)9-11-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-12-10-24(36(44-30)48-2)20-40-16-22-14-32(46)42-18-22/h3-12,21-22,39-40H,13-20H2,1-2H3,(H,41,45)(H,42,46)/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479958
PNG
(US10899735, No. 417)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OCC#N)n1
Show InChI InChI=1S/C37H37Cl2N7O4/c1-49-36-22(18-41-20-24-10-14-32(47)43-24)8-12-30(45-36)28-6-2-4-26(34(28)38)27-5-3-7-29(35(27)39)31-13-9-23(37(46-31)50-17-16-40)19-42-21-25-11-15-33(48)44-25/h2-9,12-13,24-25,41-42H,10-11,14-15,17-21H2,1H3,(H,43,47)(H,44,48)/t24-,25-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479950
PNG
(US10899735, No. 409)
Show SMILES COc1cc(nc(Cl)c1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H37Cl3N6O4/c1-48-30-15-29(44-35(39)27(30)19-41-18-22-11-14-32(47)43-22)26-8-4-6-24(34(26)38)23-5-3-7-25(33(23)37)28-12-9-20(36(45-28)49-2)16-40-17-21-10-13-31(46)42-21/h3-9,12,15,21-22,40-41H,10-11,13-14,16-19H2,1-2H3,(H,42,46)(H,43,47)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479870
PNG
(US10899735, No. 329 | US10899735, No. 330)
Show SMILES COc1nc(ccc1CNCC(C)(C)NC(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc([C@H](C)N)c(OC)n1
Show InChI InChI=1S/C33H37Cl2N5O3/c1-19(36)22-14-16-28(39-32(22)43-6)26-12-8-10-24(30(26)35)23-9-7-11-25(29(23)34)27-15-13-21(31(38-27)42-5)17-37-18-33(3,4)40-20(2)41/h7-16,19,37H,17-18,36H2,1-6H3,(H,40,41)/t19-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479780
PNG
(US10899735, No. 239)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C33H32Cl2N6O3/c1-43-32-19(17-36-18-20-10-14-28(42)39-20)9-12-26(40-32)23-7-3-5-21(29(23)34)22-6-4-8-24(30(22)35)27-13-11-25(33(41-27)44-2)31-37-15-16-38-31/h3-9,11-13,20,36H,10,14-18H2,1-2H3,(H,37,38)(H,39,42)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479759
PNG
(US10899735, No. 218)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2C[C@@H](O)C[C@H]2C(O)=O)c(OC)n1
Show InChI InChI=1S/C37H37Cl2N5O6/c1-49-34-21(16-43-19-37(20-43)14-13-31(46)42-37)9-11-28(40-34)26-7-3-5-24(32(26)38)25-6-4-8-27(33(25)39)29-12-10-22(35(41-29)50-2)17-44-18-23(45)15-30(44)36(47)48/h3-12,23,30,45H,13-20H2,1-2H3,(H,42,46)(H,47,48)/t23-,30-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479747
PNG
(US10899735, No. 206)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CCCC[C@H]2C(O)=O)c(OC)n1
Show InChI InChI=1S/C38H39Cl2N5O5/c1-49-35-23(19-44-21-38(22-44)17-16-32(46)43-38)12-14-29(41-35)27-9-5-7-25(33(27)39)26-8-6-10-28(34(26)40)30-15-13-24(36(42-30)50-2)20-45-18-4-3-11-31(45)37(47)48/h5-10,12-15,31H,3-4,11,16-22H2,1-2H3,(H,43,46)(H,47,48)/t31-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479737
PNG
(US10899735, No. 196)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NC[C@H](CO)N2)c(OC)n1
Show InChI InChI=1S/C35H34Cl2N6O4/c1-46-33-20(16-43-18-35(19-43)14-13-29(45)42-35)9-11-27(40-33)24-7-3-5-22(30(24)36)23-6-4-8-25(31(23)37)28-12-10-26(34(41-28)47-2)32-38-15-21(17-44)39-32/h3-12,21,44H,13-19H2,1-2H3,(H,38,39)(H,42,45)/t21-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479691
PNG
(US10899735, No. 150)
Show SMILES COc1nc(ccc1C1=NCCN1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C30H26Cl2N6O2/c1-39-29-21(27-33-13-14-34-27)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)40-2)28-35-15-16-36-28/h3-12H,13-16H2,1-2H3,(H,33,34)(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479690
PNG
(US10899735, No. 149)
Show SMILES COc1nc(ccc1C1=NC[C@@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NC[C@@H](CO)N2)c(OC)n1
Show InChI InChI=1S/C32H30Cl2N6O4/c1-43-31-23(29-35-13-17(15-41)37-29)9-11-25(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(32(40-26)44-2)30-36-14-18(16-42)38-30/h3-12,17-18,41-42H,13-16H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479689
PNG
(US10899735, No. 148)
Show SMILES COc1nc(ccc1CNC[C@@H](O)CC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C32H31Cl2N5O5/c1-43-31-18(16-35-17-19(40)15-27(41)42)9-11-25(38-31)22-7-3-5-20(28(22)33)21-6-4-8-23(29(21)34)26-12-10-24(32(39-26)44-2)30-36-13-14-37-30/h3-12,19,35,40H,13-17H2,1-2H3,(H,36,37)(H,41,42)/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479684
PNG
(US10899735, No. 143)
Show SMILES COc1nc(ccc1C1=NC[C@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NC[C@H](CO)N2)c(OC)n1
Show InChI InChI=1S/C32H30Cl2N6O4/c1-43-31-23(29-35-13-17(15-41)37-29)9-11-25(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(32(40-26)44-2)30-36-14-18(16-42)38-30/h3-12,17-18,41-42H,13-16H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479666
PNG
(US10899735, No. 125)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1
Show InChI InChI=1S/C36H37Cl2N5O5/c1-47-34-21(17-39-18-24-11-14-31(44)40-24)9-12-29(41-34)27-7-3-5-25(32(27)37)26-6-4-8-28(33(26)38)30-13-10-22(35(42-30)48-2)19-43-16-15-23(20-43)36(45)46/h3-10,12-13,23-24,39H,11,14-20H2,1-2H3,(H,40,44)(H,45,46)/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479654
PNG
(US10899735, No. 113)
Show SMILES COc1nc(ccc1C1=NCCN1)-c1cccc(c1Br)-c1cccc(c1Br)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C30H26Br2N6O2/c1-39-29-21(27-33-13-14-34-27)9-11-23(37-29)19-7-3-5-17(25(19)31)18-6-4-8-20(26(18)32)24-12-10-22(30(38-24)40-2)28-35-15-16-36-28/h3-12H,13-16H2,1-2H3,(H,33,34)(H,35,36)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479766
PNG
(US10899735, No. 225)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CCC[C@H]2C(O)=O)c(OC)n1
Show InChI InChI=1S/C37H37Cl2N5O5/c1-48-34-22(18-43-20-37(21-43)16-15-31(45)42-37)11-13-28(40-34)26-8-3-6-24(32(26)38)25-7-4-9-27(33(25)39)29-14-12-23(35(41-29)49-2)19-44-17-5-10-30(44)36(46)47/h3-4,6-9,11-14,30H,5,10,15-21H2,1-2H3,(H,42,45)(H,46,47)/t30-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 65n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479657
PNG
(US10899735, No. 116)
Show SMILES COc1cc(ccc1OCCNC[C@@H](O)CC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C38H40Cl2N4O7/c1-49-32-17-23(10-12-31(32)51-16-15-41-19-25(45)18-34(47)48)26-5-3-6-27(35(26)39)28-7-4-8-29(36(28)40)30-11-9-24(37(42-30)50-2)20-44-21-38(22-44)14-13-33(46)43-38/h3-12,17,25,41,45H,13-16,18-22H2,1-2H3,(H,43,46)(H,47,48)/t25-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479810
PNG
(US10899735, No. 269)
Show SMILES COc1nc(ccc1CNC1CCN(CC1)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC2CCN(CC2)C(C)=O)c(OC)n1
Show InChI InChI=1S/C40H46Cl2N6O4/c1-25(49)47-19-15-29(16-20-47)43-23-27-11-13-35(45-39(27)51-3)33-9-5-7-31(37(33)41)32-8-6-10-34(38(32)42)36-14-12-28(40(46-36)52-4)24-44-30-17-21-48(22-18-30)26(2)50/h5-14,29-30,43-44H,15-24H2,1-4H3
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n/an/a 67n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479658
PNG
(US10899735, No. 117)
Show SMILES COc1cc(ccc1OCCN1CC[C@@H](C1)C(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C39H40Cl2N4O6/c1-49-33-19-24(10-12-32(33)51-18-17-44-16-14-26(21-44)38(47)48)27-5-3-6-28(35(27)40)29-7-4-8-30(36(29)41)31-11-9-25(37(42-31)50-2)20-45-22-39(23-45)15-13-34(46)43-39/h3-12,19,26H,13-18,20-23H2,1-2H3,(H,43,46)(H,47,48)/t26-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479675
PNG
(US10899735, No. 134)
Show SMILES COc1cc(ncc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-47-31-15-30(41-18-22(31)17-40-20-24-11-14-33(46)43-24)28-8-4-6-26(35(28)38)25-5-3-7-27(34(25)37)29-12-9-21(36(44-29)48-2)16-39-19-23-10-13-32(45)42-23/h3-9,12,15,18,23-24,39-40H,10-11,13-14,16-17,19-20H2,1-2H3,(H,42,45)(H,43,46)/t23-,24-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479770
PNG
(US10899735, No. 229)
Show SMILES COc1nc(ccc1CNCCCC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C36H37Cl2N5O5/c1-47-34-22(18-39-17-5-10-31(45)46)11-13-28(40-34)26-8-3-6-24(32(26)37)25-7-4-9-27(33(25)38)29-14-12-23(35(41-29)48-2)19-43-20-36(21-43)16-15-30(44)42-36/h3-4,6-9,11-14,39H,5,10,15-21H2,1-2H3,(H,42,44)(H,45,46)
PDB

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n/an/a 74n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479781
PNG
(US10899735, No. 240)
Show SMILES COc1nc(ccc1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C34H32Cl2N6O3/c1-44-32-20(16-42-18-34(19-42)15-28(43)39-17-34)9-11-26(40-32)23-7-3-5-21(29(23)35)22-6-4-8-24(30(22)36)27-12-10-25(33(41-27)45-2)31-37-13-14-38-31/h3-12H,13-19H2,1-2H3,(H,37,38)(H,39,43)
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n/an/a 75n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479647
PNG
(US10899735, No. 106)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Br)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38BrClN6O4/c1-47-35-21(17-39-19-23-11-15-31(45)41-23)9-13-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-14-10-22(36(44-30)48-2)18-40-20-24-12-16-32(46)42-24/h3-10,13-14,23-24,39-40H,11-12,15-20H2,1-2H3,(H,41,45)(H,42,46)/t23-,24-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479656
PNG
(US10899735, No. 115)
Show SMILES COc1cc(ccc1OCCN1C[C@@H](O)C[C@H]1C(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C39H40Cl2N4O7/c1-50-33-17-23(10-12-32(33)52-16-15-45-20-25(46)18-31(45)38(48)49)26-5-3-6-27(35(26)40)28-7-4-8-29(36(28)41)30-11-9-24(37(42-30)51-2)19-44-21-39(22-44)14-13-34(47)43-39/h3-12,17,25,31,46H,13-16,18-22H2,1-2H3,(H,43,47)(H,48,49)/t25-,31-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479697
PNG
(US10899735, No. 156 | US10899735, No. 306)
Show SMILES COc1nc(ccc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-47-35-21(17-39-19-23-11-15-31(45)41-23)9-13-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-14-10-22(36(44-30)48-2)18-40-20-24-12-16-32(46)42-24/h3-10,13-14,23-24,39-40H,11-12,15-20H2,1-2H3,(H,41,45)(H,42,46)/t23-,24-/m1/s1
PDB

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n/an/a 86n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479668
PNG
(US10899735, No. 127)
Show SMILES COc1nc(ccc1CNCCC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C34H35Cl2N5O5/c1-45-33-20(17-37-16-15-30(43)44)9-12-27(40-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-13-10-21(34(41-28)46-2)18-38-19-22-11-14-29(42)39-22/h3-10,12-13,22,37-38H,11,14-19H2,1-2H3,(H,39,42)(H,43,44)/t22-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479655
PNG
(US10899735, No. 114)
Show SMILES COc1cc(ccc1OCCN[C@@](C)(CO)C(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C38H40Cl2N4O7/c1-37(22-45,36(47)48)41-16-17-51-30-13-11-23(18-31(30)49-2)25-6-4-7-26(33(25)39)27-8-5-9-28(34(27)40)29-12-10-24(35(42-29)50-3)19-44-20-38(21-44)15-14-32(46)43-38/h4-13,18,41,45H,14-17,19-22H2,1-3H3,(H,43,46)(H,47,48)/t37-/m0/s1
PDB

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n/an/a 88n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479645
PNG
(US10899735, No. 104)
Show SMILES COc1nc(ccc1CNC[C@@H](O)CC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Br)-c1ccc(CNC[C@@H](O)CC(O)=O)c(OC)n1
Show InChI InChI=1S/C34H36BrClN4O8/c1-47-33-19(15-37-17-21(41)13-29(43)44)9-11-27(39-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-12-10-20(34(40-28)48-2)16-38-18-22(42)14-30(45)46/h3-12,21-22,37-38,41-42H,13-18H2,1-2H3,(H,43,44)(H,45,46)/t21-,22-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479735
PNG
(US10899735, No. 194)
Show SMILES COc1nc(ccc1CN1CC2(C1)CN(C2)C(=O)CO)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CN(C3)C(=O)CO)c(OC)n1
Show InChI InChI=1S/C40H42Cl2N6O6/c1-53-37-25(13-45-17-39(18-45)21-47(22-39)33(51)15-49)9-11-31(43-37)29-7-3-5-27(35(29)41)28-6-4-8-30(36(28)42)32-12-10-26(38(44-32)54-2)14-46-19-40(20-46)23-48(24-40)34(52)16-50/h3-12,49-50H,13-24H2,1-2H3
PDB

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n/an/a 91n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479667
PNG
(US10899735, No. 126)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC[C@H](C2)C(O)=O)c(OC)n1
Show InChI InChI=1S/C36H37Cl2N5O5/c1-47-34-21(17-39-18-24-11-14-31(44)40-24)9-12-29(41-34)27-7-3-5-25(32(27)37)26-6-4-8-28(33(26)38)30-13-10-22(35(42-30)48-2)19-43-16-15-23(20-43)36(45)46/h3-10,12-13,23-24,39H,11,14-20H2,1-2H3,(H,40,44)(H,45,46)/t23-,24+/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479736
PNG
(US10899735, No. 195)
Show SMILES COc1nc(ccc1CN1CC2(C1)CN(C2)C=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CN(C3)C=O)c(OC)n1
Show InChI InChI=1S/C38H38Cl2N6O4/c1-49-35-25(13-43-15-37(16-43)19-45(20-37)23-47)9-11-31(41-35)29-7-3-5-27(33(29)39)28-6-4-8-30(34(28)40)32-12-10-26(36(42-32)50-2)14-44-17-38(18-44)21-46(22-38)24-48/h3-12,23-24H,13-22H2,1-2H3
PDB

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n/an/a 93n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479636
PNG
(US10899735, No. 95)
Show SMILES COc1nc(ccc1C1=NCCN1)-c1cccc(c1Cl)-c1c(F)ccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1
Show InChI InChI=1S/C30H25Cl2FN6O2/c1-40-29-19(27-34-12-13-35-27)7-10-22(38-29)16-4-3-5-18(25(16)31)24-21(33)9-6-17(26(24)32)23-11-8-20(30(39-23)41-2)28-36-14-15-37-28/h3-11H,12-15H2,1-2H3,(H,34,35)(H,36,37)
PDB

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n/an/a 94n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479785
PNG
(US10899735, No. 244)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C37H38Cl2N6O4/c1-48-35-22(17-40-18-24-11-14-31(46)41-24)9-12-29(42-35)27-7-3-5-25(33(27)38)26-6-4-8-28(34(26)39)30-13-10-23(36(43-30)49-2)19-45-20-37(21-45)16-15-32(47)44-37/h3-10,12-13,24,40H,11,14-21H2,1-2H3,(H,41,46)(H,44,47)/t24-/m0/s1
PDB

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n/an/a 95n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479548
PNG
(US10899735, No. 7)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1F)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38ClFN6O4/c1-47-35-21(17-39-19-23-11-15-31(45)41-23)9-13-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-14-10-22(36(44-30)48-2)18-40-20-24-12-16-32(46)42-24/h3-10,13-14,23-24,39-40H,11-12,15-20H2,1-2H3,(H,41,45)(H,42,46)/t23-,24-/m0/s1
PDB

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n/an/a 100n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479856
PNG
(US10899735, No. 315 | US10899735, No. 318)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(CO)c1
Show InChI InChI=1S/C38H39Cl2N5O4/c1-49-37-24(17-41-18-27-11-13-33(47)42-27)10-12-32(43-37)31-7-3-6-30(36(31)40)29-5-2-4-28(35(29)39)23-8-9-25(26(16-23)20-46)19-45-21-38(22-45)15-14-34(48)44-38/h2-10,12,16,27,41,46H,11,13-15,17-22H2,1H3,(H,42,47)(H,44,48)/t27-/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479646
PNG
(US10899735, No. 105)
Show SMILES COc1nc(ccc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Br)-c1ccc(CNC[C@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38BrClN6O4/c1-47-35-21(17-39-19-23-11-15-31(45)41-23)9-13-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-14-10-22(36(44-30)48-2)18-40-20-24-12-16-32(46)42-24/h3-10,13-14,23-24,39-40H,11-12,15-20H2,1-2H3,(H,41,45)(H,42,46)/t23-,24-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479609
PNG
(US10899735, No. 68)
Show SMILES COc1nc(ccc1CN1CC[C@@H](C1)C(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC[C@@H](C2)C(O)=O)c(OC)n1
Show InChI InChI=1S/C36H36Cl2N4O6/c1-47-33-21(17-41-15-13-23(19-41)35(43)44)9-11-29(39-33)27-7-3-5-25(31(27)37)26-6-4-8-28(32(26)38)30-12-10-22(34(40-30)48-2)18-42-16-14-24(20-42)36(45)46/h3-12,23-24H,13-20H2,1-2H3,(H,43,44)(H,45,46)/t23-,24-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479943
PNG
(US10899735, No. 402)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C37H40Cl2N6O4/c1-21-16-31(45-37(49-3)29(21)20-41-19-24-12-15-33(47)43-24)28-9-5-7-26(35(28)39)25-6-4-8-27(34(25)38)30-13-10-22(36(44-30)48-2)17-40-18-23-11-14-32(46)42-23/h4-10,13,16,23-24,40-41H,11-12,14-15,17-20H2,1-3H3,(H,42,46)(H,43,47)/t23-,24-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479823
PNG
(US10899735, No. 282)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(OCCN2CC3(C2)CCC(=O)N3)cc1
Show InChI InChI=1S/C39H39Cl2N5O4/c1-49-37-26(20-46-23-39(24-46)17-15-34(48)44-39)10-13-32(42-37)31-7-3-6-30(36(31)41)29-5-2-4-28(35(29)40)25-8-11-27(12-9-25)50-19-18-45-21-38(22-45)16-14-33(47)43-38/h2-13H,14-24H2,1H3,(H,43,47)(H,44,48)
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n/an/a 109n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479845
PNG
(US10899735, No. 304)
Show SMILES COc1nc(ccc1CNC[C@@H](O)CC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNCC2COC(=O)N2)c(OC)n1
Show InChI InChI=1S/C34H35Cl2N5O7/c1-46-32-19(14-37-16-21-18-48-34(45)39-21)9-11-27(40-32)25-7-3-5-23(30(25)35)24-6-4-8-26(31(24)36)28-12-10-20(33(41-28)47-2)15-38-17-22(42)13-29(43)44/h3-12,21-22,37-38,42H,13-18H2,1-2H3,(H,39,45)(H,43,44)/t21?,22-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479800
PNG
(US10899735, No. 259)
Show SMILES COc1nc(ccc1CN1CC2(C1)CCN(C2)C(C)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCN(C3)C(C)=O)c(OC)n1
Show InChI InChI=1S/C42H46Cl2N6O4/c1-27(51)49-17-15-41(25-49)21-47(22-41)19-29-11-13-35(45-39(29)53-3)33-9-5-7-31(37(33)43)32-8-6-10-34(38(32)44)36-14-12-30(40(46-36)54-4)20-48-23-42(24-48)16-18-50(26-42)28(2)52/h5-14H,15-26H2,1-4H3
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n/an/a 111n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479788
PNG
(US10899735, No. 247)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CNC(=O)C3)c(OC)n1
Show InChI InChI=1S/C37H38Cl2N6O4/c1-48-35-22(16-40-17-24-11-14-31(46)42-24)9-12-29(43-35)27-7-3-5-25(33(27)38)26-6-4-8-28(34(26)39)30-13-10-23(36(44-30)49-2)18-45-20-37(21-45)15-32(47)41-19-37/h3-10,12-13,24,40H,11,14-21H2,1-2H3,(H,41,47)(H,42,46)/t24-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479846
PNG
(US10899735, No. 305)
Show SMILES COc1nc(ccc1CNC[C@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H38Cl2N6O4/c1-47-35-21(17-39-19-23-11-15-31(45)41-23)9-13-29(43-35)27-7-3-5-25(33(27)37)26-6-4-8-28(34(26)38)30-14-10-22(36(44-30)48-2)18-40-20-24-12-16-32(46)42-24/h3-10,13-14,23-24,39-40H,11-12,15-20H2,1-2H3,(H,41,45)(H,42,46)/t23-,24+
PDB

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n/an/a 118n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479565
PNG
(US10899735, No. 24)
Show SMILES COc1cc(nc(Cl)c1CN1CC2(C1)CNC(=O)C2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CNC(=O)C3)c(OC)n1
Show InChI InChI=1S/C38H37Cl3N6O4/c1-50-30-11-29(44-35(41)27(30)15-47-20-38(21-47)13-32(49)43-17-38)26-8-4-6-24(34(26)40)23-5-3-7-25(33(23)39)28-10-9-22(36(45-28)51-2)14-46-18-37(19-46)12-31(48)42-16-37/h3-11H,12-21H2,1-2H3,(H,42,48)(H,43,49)
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n/an/a 118n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479773
PNG
(US10899735, No. 232)
Show SMILES COc1nc(ccc1CNCC(O)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1ccc(CN2CC3(C2)CCC(=O)N3)c(OC)n1
Show InChI InChI=1S/C34H33Cl2N5O5/c1-45-32-20(15-37-16-29(43)44)9-11-26(38-32)24-7-3-5-22(30(24)35)23-6-4-8-25(31(23)36)27-12-10-21(33(39-27)46-2)17-41-18-34(19-41)14-13-28(42)40-34/h3-12,37H,13-19H2,1-2H3,(H,40,42)(H,43,44)
PDB

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n/an/a 121n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479959
PNG
(US10899735, No. 418)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cc(F)cc(c1Cl)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C36H37Cl2FN6O4/c1-48-35-20(16-40-18-23-8-12-31(46)42-23)6-10-29(44-35)26-5-3-4-25(33(26)37)27-14-22(39)15-28(34(27)38)30-11-7-21(36(45-30)49-2)17-41-19-24-9-13-32(47)43-24/h3-7,10-11,14-15,23-24,40-41H,8-9,12-13,16-19H2,1-2H3,(H,42,46)(H,43,47)/t23-,24-/m0/s1
PDB

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n/an/a 126n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
PD-1/PD-L1


(Homo sapiens (Human))
BDBM479617
PNG
(US10899735, No. 76)
Show SMILES COc1nc(ccc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1SC)-c1ccc(CNC[C@@H]2CCC(=O)N2)c(OC)n1
Show InChI InChI=1S/C37H41ClN6O4S/c1-47-36-22(18-39-20-24-12-16-32(45)41-24)10-14-30(43-36)28-8-4-6-26(34(28)38)27-7-5-9-29(35(27)49-3)31-15-11-23(37(44-31)48-2)19-40-21-25-13-17-33(46)42-25/h4-11,14-15,24-25,39-40H,12-13,16-21H2,1-3H3,(H,41,45)(H,42,46)/t24-,25-/m0/s1
PDB

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n/an/a 127n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10899735 (2021)

More data for this
Ligand-Target Pair
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